2-[5-tert-butyl-2-(3-fluoranyl-4-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-(3-fluoranyl-4-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-(3-fluoro-4-methoxy-phenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-(3-fluoro-4-methoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-(3-fluoro-4-methoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-tert-butyl-2-(3-fluoro-4-methoxy-phenyl)-1H-indol-3-yl]acetic acid Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H22FNO3/c1-21(2,3)13-6-7-17-14(10-13)15(11-19(24)25)20(23-17)12-5-8-18(26-4)16(22)9-12/h5-10,23H,11H2,1-4H3,(H,24,25)